N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide

C19H38N2O — CID 58849372

IUPACN-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide
SMILESCCCCN(CCCCCN1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C19H38N2O/c1-5-6-15-21(18(22)17-19(2,3)4)16-9-7-8-12-20-13-10-11-14-20/h5-17H2,1-4H3
InChIKeyHFEOUIIXCPPWIZ-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.32
Rot. Bonds10

About N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide

N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide (PubChem CID 58849372) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide
PubChem CID58849372
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC NameN-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide
SMILESCCCCN(CCCCCN1CCCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C19H38N2O/c1-5-6-15-21(18(22)17-19(2,3)4)16-9-7-8-12-20-13-10-11-14-20/h5-17H2,1-4H3
InChIKeyHFEOUIIXCPPWIZ-UHFFFAOYSA-N
XLogP4.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide (CID 58849372) is N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide is CCCCN(CCCCCN1CCCC1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide?
The InChIKey is HFEOUIIXCPPWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-5-6-15-21(18(22)17-19(2,3)4)16-9-7-8-12-20-13-10-11-14-20/h5-17H2,1-4H3.
What are the key properties of N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide?
N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide has a molecular weight of 310.53 g/mol, XLogP of 4.32, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethyl-N-(5-pyrrolidin-1-ylpentyl)butanamide is sourced from PubChem (CID 58849372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).